Binding information for 3bgl_ligand_4_49.mol2(FDBF02411)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bgl_ligand_4_49.mol2 | 3bgl | 1 | -6.10 | [C@@H](O)(CC[NH+]1CCCC1)C | 10 |
Structure and binding mode of 3bgl_ligand_4_49.mol2(FDBF02411)
Important binding residues for 3bgl_ligand_4_49.mol2(FDBF02411)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bgl | LYS691 | 0.36 | -5.53 | -5.17 | 1.19 | -3.98 |
| 3bgl | ASN755 | -0.55 | -1.39 | -1.94 | -0.58 | -2.52 |
| 3bgl | LEU853 | -1.51 | 0.04 | -1.47 | -0.17 | -1.63 |
